6796-0229 Screening compound: N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

6796-0229 Screening compound: N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
6796-0229 Screening compound: N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6796-0229
N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6796-0229

Molecular Formula

C13H10ClN5OS3 (C13 H10 ClN5 OS3)

Compound Name

N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-[3-(4-chlorophenyl)-124-thiadiazol-5-yl]-2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]acetamide

SMILES

Cc1nnc(SCC(Nc2nc(-c(cc3)ccc3Cl)ns2)=O)s1

InChI

InChI=1S/C13H10ClN5OS3/c1-7-17-18-13(22-7)21-6-10(20)15-12-16-11(19-23-12)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3,(H,15,16,19,20)

InChI Key

DTLRQEHICWDPSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05741681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-4.10

Polar Surface Area

66.375

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6796-0229 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6796-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6796-0229?
Check Price and Availability of 6796-0229, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6796-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6796-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6796-0229
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6796-0229 available by request